1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

C103H98ClF3N24O9 — CID 161050610

IUPAC1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1.O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C26H23F3N6O2.C26H26N6O3.C26H26N6O2.C25H23ClN6O2/c27-26(28,29)19-4-6-20(7-5-19)31-25(36)32-21-3-1-2-18(16-21)23-22(17-8-10-30-11-9-17)33-24(34-23)35-12-14-37-15-13-35;1-34-22-7-5-20(6-8-22)28-26(33)29-21-4-2-3-19(17-21)24-23(18-9-11-27-12-10-18)30-25(31-24)32-13-15-35-16-14-32;1-18-5-7-21(8-6-18)28-26(33)29-22-4-2-3-20(17-22)24-23(19-9-11-27-12-10-19)30-25(31-24)32-13-15-34-16-14-32;26-19-4-6-20(7-5-19)28-25(33)29-21-3-1-2-18(16-21)23-22(17-8-10-27-11-9-17)30-24(31-23)32-12-14-34-15-13-32/h1-11,16H,12-15H2,(H,33,34)(H2,31,32,36);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);1-11,16H,12-15H2,(H,30,31)(H2,28,29,33)
InChIKeyUCBZPSRUIONGMB-UHFFFAOYSA-N
MW1908.52 g/mol
LogP20.47
Rot. Bonds21

About 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 161050610) has the molecular formula C103H98ClF3N24O9 and a molecular weight of 1908.52 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID161050610
Molecular FormulaC103H98ClF3N24O9
Molecular Weight1908.52 g/mol
Exact Mass1906.76
IUPAC Name1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1.O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C26H23F3N6O2.C26H26N6O3.C26H26N6O2.C25H23ClN6O2/c27-26(28,29)19-4-6-20(7-5-19)31-25(36)32-21-3-1-2-18(16-21)23-22(17-8-10-30-11-9-17)33-24(34-23)35-12-14-37-15-13-35;1-34-22-7-5-20(6-8-22)28-26(33)29-21-4-2-3-19(17-21)24-23(18-9-11-27-12-10-18)30-25(31-24)32-13-15-35-16-14-32;1-18-5-7-21(8-6-18)28-26(33)29-22-4-2-3-20(17-22)24-23(19-9-11-27-12-10-19)30-25(31-24)32-13-15-34-16-14-32;26-19-4-6-20(7-5-19)28-25(33)29-21-3-1-2-18(16-21)23-22(17-8-10-27-11-9-17)30-24(31-23)32-12-14-34-15-13-32/h1-11,16H,12-15H2,(H,33,34)(H2,31,32,36);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);1-11,16H,12-15H2,(H,30,31)(H2,28,29,33)
InChIKeyUCBZPSRUIONGMB-UHFFFAOYSA-N
XLogP20.47
TPSA389.91 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001908.52
LogP ≤ 520.47
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 161050610) is 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is COc1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)c2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1.O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is UCBZPSRUIONGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2.C26H26N6O3.C26H26N6O2.C25H23ClN6O2/c27-26(28,29)19-4-6-20(7-5-19)31-25(36)32-21-3-1-2-18(16-21)23-22(17-8-10-30-11-9-17)33-24(34-23)35-12-14-37-15-13-35;1-34-22-7-5-20(6-8-22)28-26(33)29-21-4-2-3-19(17-21)24-23(18-9-11-27-12-10-18)30-25(31-24)32-13-15-35-16-14-32;1-18-5-7-21(8-6-18)28-26(33)29-22-4-2-3-20(17-22)24-23(19-9-11-27-12-10-19)30-25(31-24)32-13-15-34-16-14-32;26-19-4-6-20(7-5-19)28-25(33)29-21-3-1-2-18(16-21)23-22(17-8-10-27-11-9-17)30-24(31-23)32-12-14-34-15-13-32/h1-11,16H,12-15H2,(H,33,34)(H2,31,32,36);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);2-12,17H,13-16H2,1H3,(H,30,31)(H2,28,29,33);1-11,16H,12-15H2,(H,30,31)(H2,28,29,33).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 1908.52 g/mol, XLogP of 20.47, 21 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methoxyphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-methylphenyl)-3-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[3-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 161050610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).